1-(phenylmethyl)-3-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione

Systemtic Name: 1-(phenylmethyl)-3-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Openeye Name: 1-benzyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione CAS Name: 1-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]-3-(phenylmethyl)imidazolidine-2,4,5-trione IUPAC Name: 1-benzyl-3-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Traditional Name: 1-benzyl-3-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Formula: C20H21N4O4S+ MolecularWeight: 413.47014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C(=O)N(C2=O)CC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C(=O)N(C2=O)CC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H20N4O4S/c25-17(16-7-4-12-29-16)22-10-8-21(9-11-22)14-24-19(27)18(26)23(20(24)28)13-15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2/p+1